We are developing research relating to active sites of redox metalloenzymes containing Mn ions or a free-radical metal motif including biochemical studies enzyme structures, electronic structure calculations, spectroscopic analysis a modelling and bioinorganic synthesis. The major computational requirements for which advanced computing resources are required are access to molecular biology software (Wisconsin GCG; molecular graphics); trail implementation of spectroscopic modelling code on multiprocessor platform; and access to advance computational chemistry software to complement our lab's DFT calculation of metal complex structures.